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5E2O
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BU of 5e2o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid
分子名称: 1,2-ETHANEDIOL, 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid, Coagulation factor XIa light chain, ...
著者Wei, A.
登録日2015-10-01
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5E2P
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BU of 5e2p by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
分子名称: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
著者Wei, A.
登録日2015-10-01
公開日2015-12-09
最終更新日2016-01-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
3G2A
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BU of 3g2a by Molmil
Crystal structure of d(CACGCG).d(CGCGTG) grown in presence of 1mM MnCl2
分子名称: 5'-D(*CP*AP*CP*GP*CP*G)-3', 5'-D(*CP*GP*CP*GP*TP*G)-3'
著者Venkadesh, S, Mandal, P.K, Kannan, R, Gautham, N.
登録日2009-01-31
公開日2009-03-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of d(CACGCG).d(CGCGTG) cocrystallized with MnCl2
To be Published
3FQ5
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BU of 3fq5 by Molmil
Crystal Structure of d(CACGCG).d(CGCGTG) with 10mM MnCl2
分子名称: 5'-D(*CP*AP*CP*GP*CP*G)-3', 5'-D(*CP*GP*CP*GP*TP*G)-3', MANGANESE (II) ION
著者Venkadesh, S, Kannan, R, Mandal, P.K, Gautham, N.
登録日2009-01-07
公開日2009-02-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of d(CACGCG).d(CGCGTG) with 10mM MnCl2
To be Published
5EG2
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BU of 5eg2 by Molmil
SET7/9 N265A in complex with AdoHcy and TAF10 peptide
分子名称: Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ...
著者Kroner, G.M, Fick, R.J, Trievel, R.C.
登録日2015-10-26
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Sulfur-Oxygen Chalcogen Bonding Mediates AdoMet Recognition in the Lysine Methyltransferase SET7/9.
Acs Chem.Biol., 11, 2016
8DY5
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BU of 8dy5 by Molmil
Crystal Structure of spFv CAT2200 LH in complex with IL-17A
分子名称: CALCIUM ION, CHLORIDE ION, Interleukin-17A, ...
著者Luo, J, Boucher, L.E.
登録日2022-08-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY2
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BU of 8dy2 by Molmil
Crystal Structure of spFv GLK1
分子名称: SULFATE ION, spFv GLK1 LH
著者Luo, J, Boucher, L.E.
登録日2022-08-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY4
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BU of 8dy4 by Molmil
Crystal Structure of spFv CAT2200 HL
分子名称: spFv CAT2200 HL
著者Luo, J, Boucher, L.E.
登録日2022-08-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY0
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BU of 8dy0 by Molmil
Crystal Structure of spFv GLK1 HL
分子名称: spFv GLK1 HL
著者Luo, J, Boucher, L.E.
登録日2022-08-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY3
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BU of 8dy3 by Molmil
Crystal Structure of spFv GLK2 HL
分子名称: SULFATE ION, spFv GLK2 HL
著者Luo, J, Boucher, L.E.
登録日2022-08-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.509 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY1
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BU of 8dy1 by Molmil
Crystal Structure of scFv CAT2200 LH in complex with IL-17A
分子名称: Interleukin-17A, SULFATE ION, scFv CAT2200 LH
著者Luo, J, Armstrong, A.A.
登録日2022-08-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
7ZFX
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BU of 7zfx by Molmil
VDR complex with Aromatic-D-Ring Analog
分子名称: (1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ...
著者Rochel, N.
登録日2022-04-01
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3.
J.Med.Chem., 65, 2022
7ZFG
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BU of 7zfg by Molmil
VDR complex with aromatic D-ring analog
分子名称: (1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ...
著者Rochel, N.
登録日2022-04-01
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3.
J.Med.Chem., 65, 2022
3TZI
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BU of 3tzi by Molmil
X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of G533V murine COX-2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vecchio, A.J, Malkowski, M.G.
登録日2011-09-27
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Investigating Substrate Promiscuity in Cyclooxygenase-2: THE ROLE OF ARG-120 AND RESIDUES LINING THE HYDROPHOBIC GROOVE.
J.Biol.Chem., 287, 2012
1LVY
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BU of 1lvy by Molmil
PORCINE ELASTASE
分子名称: CALCIUM ION, ELASTASE, SULFATE ION
著者Schiltz, M, Prange, T.
登録日1996-07-20
公開日1997-01-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献High-pressure krypton gas and statistical heavy-atom refinement: a successful combination of tools for macromolecular structure determination.
Acta Crystallogr.,Sect.D, 53, 1997
3VPP
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BU of 3vpp by Molmil
Crystal Structure of the Human CLEC9A C-type Lectin-Like Domain
分子名称: C-type lectin domain family 9 member A, CALCIUM ION
著者Czabotar, P.E, Zhang, J.G, Policheni, A.N, Shortman, K, Lahoud, M.H, Colman, P.M.
登録日2012-03-07
公開日2012-04-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.642 Å)
主引用文献The dendritic cell receptor Clec9A binds damaged cells via exposed actin filaments.
Immunity, 36, 2012
5TQF
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BU of 5tqf by Molmil
Factor VIIa in complex with the inhibitor (11R)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione
分子名称: (11R)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A.
登録日2016-10-24
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors.
ACS Med Chem Lett, 8, 2017
5TQE
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BU of 5tqe by Molmil
Factor VIIa in complex with the inhibitor (5R)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione
分子名称: (5R)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A.
登録日2016-10-24
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors.
ACS Med Chem Lett, 8, 2017
5TQG
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BU of 5tqg by Molmil
Factor VIIa in complex with the inhibitor (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione
分子名称: (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A.
登録日2016-10-24
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors.
ACS Med Chem Lett, 8, 2017
1EAS
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BU of 1eas by Molmil
NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES
分子名称: 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ...
著者Ceccarelli, C.
登録日1994-11-22
公開日1995-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nonpeptidic inhibitors of human leukocyte elastase. 3. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of orally active 3-amino-6-phenylpyridin-2-one trifluoromethyl ketones.
J.Med.Chem., 37, 1994
5US4
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BU of 5us4 by Molmil
Crystal structure of human KRAS G12D mutant in complex with GDP
分子名称: GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Tran, T, Kaplan, A, Stockwell, B.R, Tong, L.
登録日2017-02-13
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
5UQW
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BU of 5uqw by Molmil
Crystal structure of human KRAS G12V mutant in complex with GDP
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
2OWQ
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BU of 2owq by Molmil
Crystal structure of vaccinia virus uracil-DNA glycosylase
分子名称: CHLORIDE ION, GLYCEROL, IMIDAZOLE, ...
著者Schormann, N, Chattopadhyay, D.
登録日2007-02-16
公開日2007-07-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of vaccinia virus uracil-DNA glycosylase reveals dimeric assembly
Bmc Struct.Biol., 7, 2007
7EST
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BU of 7est by Molmil
Interaction of the peptide CF3-LEU-ALA-NH-C6H4-CF3(TFLA) with porcine pancreatic elastase. X-ray studies at 1.8 Angstroms
分子名称: CALCIUM ION, DIMETHYLFORMAMIDE, ELASTASE, ...
著者Li De Lasierra, I, Prange, T.
登録日1990-06-15
公開日1991-10-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interaction of the peptide CF3-Leu-Ala-NH-C6H4-CF3 (TFLA) with porcine pancreatic elastase. X-ray studies at 1.8 A.
J.Mol.Recog., 3, 1990
4E1G
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BU of 4e1g by Molmil
X-ray crystal structure of alpha-linolenic acid bound to the cyclooxygenase channel of cyclooxygenase-2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vecchio, A.J, Malkowski, M.G.
登録日2012-03-06
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Investigating Substrate Promiscuity in Cyclooxygenase-2: THE ROLE OF ARG-120 AND RESIDUES LINING THE HYDROPHOBIC GROOVE.
J.Biol.Chem., 287, 2012

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